Outstanding Performance of Transition-Metal-Decorated Single-Layer Graphene-like BC₆N Nanosheets for Disease Biomarker Detection in Human Breath.

ABSTRACT: In the present work, we report highly sensitive and selective nanosensors constructed with metal-decorated graphene-like BC₆N employing nonequilibrium Green's function (NEGF) formalism combined by density functional theory (DFT) toward multiple inorganic and sulfur-containing gas molecules (NO, NO₂, NH₃, CO, CO₂, H₂S, and SO₂) as disease biomarkers from human breath. Monolayer sheets of pristine BC₆N and Pd-decorated BC₆N were evaluated for their gas adsorption properties, electronic property changes, sensitivity, and selectivity toward disease biomarkers. The pristine BC₆N nanosheets exhibited sharp drops in the bandgap when interacted with gases such as NO₂ while barely affected

SUBMITTER: Aasi A 

PROVIDER: S-EPMC7905814 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature